6533b7d9fe1ef96bd126caef
RESEARCH PRODUCT
Lattice Dynamics in Wurtzite Semiconductors: The Bond Charge Model of CdS
J. CamachoAndrés Cantarerosubject
Condensed Matter::Materials ScienceCondensed matter physicsChemistryAb initio quantum chemistry methodsPhononLattice (order)NeutronNeutron scatteringCondensed Matter PhysicsAdiabatic processLattice model (physics)Electronic Optical and Magnetic MaterialsWurtzite crystal structuredescription
An extension of the adiabatic bond charge model of Rustagi and Weber is used to study the lattice dynamic properties of wurtzite-type compounds. The model has been applied to the description of the phonon dispersion of CdS, which has been recently measured by neutron scattering. The agreement with the neutron data is excellent with a small set of physically meaningful parameters. The eigenvector admixture of the E2 modes, calculated at the G-point, agrees with the experimental values obtained through the isotopic mass dependence of the optical modes and ab initio calculations.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1999-09-01 | physica status solidi (b) |